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Dual-Level Approach to Instanton Theory. J. Chem. Theory Comput., (14):1865-1872, 2018. [PUMA: chemie imported kaestner from:alexanderdenzel kästner meisner theoretische stuttgart theochem] URL
A Quadratically-Converging Nudged Elastic Band Optimizer. J. Chem. Theory Comput., (9):3498-3504, 2013. [PUMA: chemie imported kaestner from:alexanderdenzel kästner meisner theoretische stuttgart theochem] URL
Tunneling Above the Crossover Temperature. J. Phys. Chem. A, (118):78, 2014. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL
Fe or Fe–NO Catalysis? A Quantum Chemical Investigation of the [Fe(CO)₃(NO)]⁻-Catalyzed Cloke—Wilson Rearrangement. Chem. Eur. J., (20):7254-7257, 2014. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL